4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine

C13H17ClN4 — CID 63730226

IUPAC4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCCc1c(Cl)ncnc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C13H17ClN4/c1-5-10-8(3)17-18(9(10)4)13-11(6-2)12(14)15-7-16-13/h7H,5-6H2,1-4H3
InChIKeyNCQXQXMLQRENEC-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine

4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 63730226) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID63730226
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCCc1c(Cl)ncnc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C13H17ClN4/c1-5-10-8(3)17-18(9(10)4)13-11(6-2)12(14)15-7-16-13/h7H,5-6H2,1-4H3
InChIKeyNCQXQXMLQRENEC-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80902180
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80899759
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80856969
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
(1R)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 114056502
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
CID 62477705
4-chloro-5-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidine
CID 55229676
6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
CID 102806833
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
CID 103536691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine (CID 63730226) is 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine is CCc1c(Cl)ncnc1-n1nc(C)c(CC)c1C.
What is the InChIKey of 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is NCQXQXMLQRENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-5-10-8(3)17-18(9(10)4)13-11(6-2)12(14)15-7-16-13/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine?
4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 264.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 63730226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).